(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide

C17H18ClN3O2 — CID 51980916

IUPAC(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(22)21-16(14-2-4-15(18)5-3-14)10-17(23)20-11-13-6-8-19-9-7-13/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyNNUMSHIKNWPITI-MRXNPFEDSA-N
MW331.80 g/mol
LogP2.62
Rot. Bonds6

About (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide

(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 51980916) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID51980916
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(22)21-16(14-2-4-15(18)5-3-14)10-17(23)20-11-13-6-8-19-9-7-13/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyNNUMSHIKNWPITI-MRXNPFEDSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043579
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
methyl 4-[[[(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoyl]amino]methyl]benzoate
CID 51968939
2-[[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244736
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
3-acetamido-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)propanamide
CID 55428569
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55709961
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 51980916) is (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N[C@H](CC(=O)NCc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is NNUMSHIKNWPITI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(22)21-16(14-2-4-15(18)5-3-14)10-17(23)20-11-13-6-8-19-9-7-13/h2-9,16H,10-11H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 51980916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).